(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene

C28H24O4 — CID 135016964

IUPAC(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc(OC)/c1=c1\cccc\c1=c1/cccc(OC)/c1=2
InChIInChI=1S/C28H24O4/c1-29-21-13-7-11-18-17-9-5-6-10-19(17)26-23(31-3)15-16-24(32-4)28(26)27-20(25(18)21)12-8-14-22(27)30-2/h5-16H,1-4H3/b18-17-,25-20+,26-19-,28-27+
InChIKeyMJOVVGBSXUFWBT-WBOMRGJJSA-N
MW424.50 g/mol
LogP5.18
Rot. Bonds4

About (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene

(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene (PubChem CID 135016964) has the molecular formula C28H24O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene.

Molecular Properties

Compound Name(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene
PubChem CID135016964
Molecular FormulaC28H24O4
Molecular Weight424.50 g/mol
Exact Mass424.17
IUPAC Name(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene
SMILESCOc1cccc2/c1=c1/c(OC)ccc(OC)/c1=c1\cccc\c1=c1/cccc(OC)/c1=2
InChIInChI=1S/C28H24O4/c1-29-21-13-7-11-18-17-9-5-6-10-19(17)26-23(31-3)15-16-24(32-4)28(26)27-20(25(18)21)12-8-14-22(27)30-2/h5-16H,1-4H3/b18-17-,25-20+,26-19-,28-27+
InChIKeyMJOVVGBSXUFWBT-WBOMRGJJSA-N
XLogP5.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxytetraphenylene
CID 11257041
(4aZ,8aZ,12aZ,16aZ)-1,8,9,16-tetramethoxytetraphenylene
CID 101743118
(1Z,7Z,9Z,11Z)-3,16-dimethoxytricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene
CID 6536678
(1Z,11Z,17Z,23Z)-5,8,27,30-tetramethoxyheptacyclo[22.8.0.02,11.04,9.012,17.018,23.026,31]dotriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 15425792
(4aZ,8aZ,12aZ,16aZ)-1,16-dimethoxy-6,11-dimethyltetraphenylene
CID 25188011
2,7,10-Trimethoxytetraphenylene
CID 129807438
2,7-Dimethoxytetraphenylene
CID 129892392
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,16-hexamethoxytetraphenylene
CID 135016708
(4aZ,8aZ,12aZ,16aZ)-1,4,5,16-tetramethoxytetraphenylene
CID 135016860
12,15-Dimethoxyundecacyclo[36.2.2.22,5.26,9.218,21.222,25.226,29.230,33.234,37.08,13.014,19]hexapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55-octacosaene
CID 162416798
(4aZ,8aZ,12aZ,16aE)-1-methoxytetraphenylene
CID 87857694
1,2-Dimethoxy-5-methylidene-6-(2-methylidenebutylidene)cyclohexa-1,3-diene
CID 90935645

Frequently Asked Questions

What is the IUPAC name of (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene?
The IUPAC name of (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene (CID 135016964) is (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene.
What is the SMILES notation for (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene?
The canonical SMILES for (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene is COc1cccc2/c1=c1/c(OC)ccc(OC)/c1=c1\cccc\c1=c1/cccc(OC)/c1=2.
What is the InChIKey of (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene?
The InChIKey is MJOVVGBSXUFWBT-WBOMRGJJSA-N. The full InChI is InChI=1S/C28H24O4/c1-29-21-13-7-11-18-17-9-5-6-10-19(17)26-23(31-3)15-16-24(32-4)28(26)27-20(25(18)21)12-8-14-22(27)30-2/h5-16H,1-4H3/b18-17-,25-20+,26-19-,28-27+.
What are the key properties of (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene?
(4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene has a molecular weight of 424.50 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,8aE,12aZ,16aE)-1,4,5,9-tetramethoxytetraphenylene is sourced from PubChem (CID 135016964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).